2-methyl-3-[(Z)-(1-propylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-ium

Systemtic Name: 2-methyl-3-[(Z)-(1-propylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-ium Openeye Name: 2-methyl-3-[(Z)-(1-propyl-4-quinolylidene)methyl]-1,3-benzothiazol-3-ium CAS Name: 2-methyl-3-[(Z)-(1-propyl-4-quinolinylidene)methyl]-1,3-benzothiazol-3-ium IUPAC Name: 2-methyl-3-[(Z)-(1-propylquinolin-4-ylidene)methyl]-1,3-benzothiazol-3-ium Traditional Name: 2-methyl-3-[(Z)-(1-propyl-4-quinolylidene)methyl]-1,3-benzothiazol-3-ium Formula: C21H21N2S+ MolecularWeight: 333.46984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CC(=C[N+]2=C(SC3=CC=CC=C32)C)C4=CC=CC=C41

Isomeric SMILES

CCCN1C=C/C(=C/[N+]2=C(SC3=CC=CC=C32)C)/C4=CC=CC=C41

InChI

InChI=1S/C21H21N2S/c1-3-13-22-14-12-17(18-8-4-5-9-19(18)22)15-23-16(2)24-21-11-7-6-10-20(21)23/h4-12,14-15H,3,13H2,1-2H3/q+1/b17-15-